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| Title: | | TARGETING THE MINOR GROOVE OF DNA: CRYSTAL STRUCTURES OF TWO COMPLEXES BETWEEN FURAN DERIVATIVES OF BERENIL AND THE DNA DODECAMER D(CGCGAATTCGCG)2 | |
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| Molecular Description: | 5'-D(CpGpCpGpApApTpTpCpGpCpG)-3'
2,5-BIS{[4-(N-ISOPROPYL)AMIDINO] PHENYL}FURAN |
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| Structural Features: | B DOUBLE HELIX |
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| Nucleic Acid Sequence: |
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| Chains | A,B: | | (DC) (DG) (DC) (DG) (DA) (DA) (DT) (DT) (DC) (DG) (DC) (DG) |
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| Primary Citation: | Trent, J.O., Clark, G.R., Kumar, A., Wilson, W.D., Boykin, D.W., Hall, J.E., Tidwell, R.R., Blagburn, B.L., Neidle, S.
Targeting the minor groove of DNA: crystal structures of two complexes between furan derivatives of berenil and the DNA dodecamer d(CGCGAATTCGCG)2.
J.Med.Chem.
, 39,
pp. 4554 - 4562, 1996.
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| Experimental Information: | X-RAY DIFFRACTION |
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| Space Group: |
P
21
21
21
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| Cell Constants: |
| a = 24.600 | b = 40.070 | c = 65.450 | (Ångstroms) |
 = 90.00 |  = 90.00 |  = 90.00 | (degrees) |
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| Refinement: | The structure was refined using the X-PLOR program.
The R value is
16.9
for 2591 reflections
in the resolution range 8.000 to
2.200 Ångstroms
with Fobs > 2.000 sigma(Fobs).
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